3-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethanoylamino]propyliminomethylazanium

Systemtic Name: 3-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethanoylamino]propyliminomethylazanium Openeye Name: 3-[[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]amino]propyliminomethylammonium CAS Name: 3-[[1-oxo-2-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)ethyl]amino]propyliminomethylammonium IUPAC Name: 3-[[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]amino]propyliminomethylazanium Traditional Name: 3-[[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]amino]propyliminomethylammonium Formula: C13H30N5O+3 MolecularWeight: 272.4102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[N+](CC1)(C)CC(=O)NCCCN=C[NH3+])C

Isomeric SMILES

C[N+]1(CC[N+](CC1)(C)CC(=O)NCCCN=C[NH3+])C

InChI

InChI=1S/C13H28N5O/c1-17(2)7-9-18(3,10-8-17)11-13(19)16-6-4-5-15-12-14/h12H,4-11H2,1-3H3,(H2-,14,15,16,19)/q+1/p+2